⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6817054 | 0.69 | — | — | |
| SCHEMBL6919467 | 0.67 | — | — | |
| SCHEMBL7485986 | 0.62 | CHRNA7 (0.30) | — | |
| SCHEMBL3985587 | 0.59 | — | — | |
| SCHEMBL1561090 | 0.59 | — | — | |
| SCHEMBL1463632 | 0.57 | — | — | |
| SCHEMBL1895739 | 0.57 | — | — | |
| SCHEMBL17652504 | 0.57 | — | — | |
| SCHEMBL373913 | 0.57 | — | — | |
| SCHEMBL9562288 | 0.56 | CHRNA7 (0.36) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7101896-B2 | Pharmaceutical compositions and methods for use | TARGACEPT, INC. (US) | 2006-09-05 | — | — | US | disclosed |
| US-20050267111-A1 | Pharmaceutical compositions and methods for use | DULL GARY M | 2005-12-01 | — | — | US | disclosed |
| US-6890935-B2 | Pharmaceutical compositions and methods for use | TARGACEPT, INC. (US) | 2005-05-10 | — | — | US | disclosed |
| US-20020058652-A1 | Pharmaceutical compositions and methods for use | TARGACEPT, INC. | 2002-05-16 | — | — | US | disclosed |